=============================================================================
          SHIFTS, version 4.1   [X.-P. Xu and D.A. Case, Mar. 2002]
=============================================================================
   shifts will be computed for atoms matching ::H*
found 0 rings

=============================================================================
        Atom       RingCur  El   P_anis  Const   RC     pred    Obs
=============================================================================
3meuD1 ALA   1 HA     0.00  -0.02   0.05  -0.75   4.34     3.61
3meuD1 ALA   1 HB3    0.00  -0.01  -0.00  -0.04   1.41     1.36
3meuD1 THR   3 HA     0.00  -0.02   0.05  -0.75   4.39     3.67
3meuD1 THR   3 HB     0.00  -0.02   0.00  -0.04   4.32     4.26
3meuD1 THR   3 HG23   0.00   0.02  -0.22  -0.04   1.22     0.97